7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C25H33N5O3 — CID 71118713

IUPAC7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c3c(c2C#N)CCN(C(C)=O)C3)C[C@H]1C1CC1
InChIInChI=1S/C25H33N5O3/c1-16(31)28-9-7-19-20(13-26)25(27-24(18-5-6-18)21(19)14-28)29-10-11-30(23(32)8-12-33-2)22(15-29)17-3-4-17/h17-18,22H,3-12,14-15H2,1-2H3/t22-/m0/s1
InChIKeyFOAZSNXFAMJTFP-QFIPXVFZSA-N
MW451.57 g/mol
LogP2.20
Rot. Bonds6

About 7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 71118713) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID71118713
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c3c(c2C#N)CCN(C(C)=O)C3)C[C@H]1C1CC1
InChIInChI=1S/C25H33N5O3/c1-16(31)28-9-7-19-20(13-26)25(27-24(18-5-6-18)21(19)14-28)29-10-11-30(23(32)8-12-33-2)22(15-29)17-3-4-17/h17-18,22H,3-12,14-15H2,1-2H3/t22-/m0/s1
InChIKeyFOAZSNXFAMJTFP-QFIPXVFZSA-N
XLogP2.20
TPSA89.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile with MolForge

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Related Compounds

1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 89288159
8-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71119107
3-[(3R)-3-(cyclopropen-1-yl)-4-(3-methoxypropanoyl)piperazin-1-yl]-1-cyclopropyl-7-(2-hydroxyethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 130273154
1-[5-amino-6-[(3R)-4-(cyclopropanecarbonyl)-3-cyclopropylpiperazin-1-yl]-8-cyclopropyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 71137204
8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 90283286
6-cyclopropyl-2-[3-cyclopropyl-4-(3-hydroxypropanoyl)piperazin-1-yl]-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)pyridine-3-carbonitrile
CID 89288384
6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-(3-hydroxypropanoyl)piperazin-1-yl]-4-methyl-5-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)pyridine-3-carbonitrile
CID 89288383
5-bromo-6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile;1-methoxy-3,3-dimethylbutane
CID 157310948
6-cyclopropyl-2-[3-cyclopropyl-4-(4-methoxybutanoyl)piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)pyridine-3-carbonitrile
CID 123663473
6-cyclopropyl-5-(4-fluorophenyl)-4-(methoxymethyl)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 71118923
6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 90301761
6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-5-(3-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 71119229

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 71118713) is 7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is COCCC(=O)N1CCN(c2nc(C3CC3)c3c(c2C#N)CCN(C(C)=O)C3)C[C@H]1C1CC1.
What is the InChIKey of 7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is FOAZSNXFAMJTFP-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-16(31)28-9-7-19-20(13-26)25(27-24(18-5-6-18)21(19)14-28)29-10-11-30(23(32)8-12-33-2)22(15-29)17-3-4-17/h17-18,22H,3-12,14-15H2,1-2H3/t22-/m0/s1.
What are the key properties of 7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 451.57 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 71118713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).